(2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylbenzyl)propionamide Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O2/c1-17-4-6-19(7-5-17)16-23-22(26)18(2)24-12-14-25(15-13-24)20-8-10-21(27-3)11-9-20/h4-11,18H,12-16H2,1-3H3,(H,23,26)/p+1/t18-/m0/s1